1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

C12H21N3O2S2 — CID 60585219

About 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 60585219) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

• Compound Name: 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
• PubChem CID: 60585219
• Molecular Formula: C12H21N3O2S2
• Molecular Weight: 303.45 g/mol
• Exact Mass: 303.11
• IUPAC Name: 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
• SMILES: Cc1nnc(SCC(O)CN2CC(C)OC(C)C2)s1
• InChI: InChI=1S/C12H21N3O2S2/c1-8-4-15(5-9(2)17-8)6-11(16)7-18-12-14-13-10(3)19-12/h8-9,11,16H,4-7H2,1-3H3
• InChIKey: PYNXZWYWHYGWIQ-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 58.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.45
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?

The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 60585219) is 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?

The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is Cc1nnc(SCC(O)CN2CC(C)OC(C)C2)s1.

What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?

The InChIKey is PYNXZWYWHYGWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-8-4-15(5-9(2)17-8)6-11(16)7-18-12-14-13-10(3)19-12/h8-9,11,16H,4-7H2,1-3H3.

What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?

1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 303.45 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylmorpholin-4-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 60585219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).